2-[[1-(3-methylphenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-(pyridin-2-ylmethyl)butanamide

Systemtic Name: 2-[[1-(3-methylphenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-(pyridin-2-ylmethyl)butanamide Openeye Name: 2-[[1-(m-tolyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-(2-pyridylmethyl)butanamide CAS Name: 2-[[1-(3-methylphenyl)-2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-(2-pyridinylmethyl)butanamide IUPAC Name: 2-[[1-(3-methylphenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-(pyridin-2-ylmethyl)butanamide Traditional Name: 2-[[1-(m-tolyl)-2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-(2-pyridylmethyl)butyramide Formula: C29H33N3O3 MolecularWeight: 471.59062

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CC=N1)OC2=CC3=C(CCN(C3C4=CC(=CC=C4)C)C(=O)CC)C=C2

Isomeric SMILES

CCC(C(=O)NCC1=CC=CC=N1)OC2=CC3=C(CCN(C3C4=CC(=CC=C4)C)C(=O)CC)C=C2

InChI

InChI=1S/C29H33N3O3/c1-4-26(29(34)31-19-23-11-6-7-15-30-23)35-24-13-12-21-14-16-32(27(33)5-2)28(25(21)18-24)22-10-8-9-20(3)17-22/h6-13,15,17-18,26,28H,4-5,14,16,19H2,1-3H3,(H,31,34)